2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile

C17H17N3 — CID 82122216

IUPAC2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2nc(NC3CC3)c(C#N)cc2C)cc1
InChIInChI=1S/C17H17N3/c1-11-3-5-13(6-4-11)16-12(2)9-14(10-18)17(20-16)19-15-7-8-15/h3-6,9,15H,7-8H2,1-2H3,(H,19,20)
InChIKeyGOZRTPQIUHQWHM-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.81
Rot. Bonds3

About 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile

2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile (PubChem CID 82122216) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
PubChem CID82122216
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2nc(NC3CC3)c(C#N)cc2C)cc1
InChIInChI=1S/C17H17N3/c1-11-3-5-13(6-4-11)16-12(2)9-14(10-18)17(20-16)19-15-7-8-15/h3-6,9,15H,7-8H2,1-2H3,(H,19,20)
InChIKeyGOZRTPQIUHQWHM-UHFFFAOYSA-N
XLogP3.81
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromophenyl)-5-methyl-2-(propylamino)pyridine-3-carbonitrile
CID 63482773
5,6-dimethyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 131896286
5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile
CID 76848506
N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 22143475
3-[(4-methylcyclohexyl)amino]pyridazine-4-carbonitrile
CID 80509395
4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine
CID 66799509
5-methyl-2-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 18893846
5-bromo-2-(cyclopentylamino)pyridine-3-carbonitrile
CID 76848500
2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile
CID 865254
2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
CID 79110256
3-bromo-N-cyclopropyl-7-methylquinolin-2-amine
CID 126637335
2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103082181

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile (CID 82122216) is 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile is Cc1ccc(-c2nc(NC3CC3)c(C#N)cc2C)cc1.
What is the InChIKey of 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is GOZRTPQIUHQWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11-3-5-13(6-4-11)16-12(2)9-14(10-18)17(20-16)19-15-7-8-15/h3-6,9,15H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile?
2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 82122216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).